CID 103820

(2-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1=NC(C(O1)C2=CC=CC=C2)CO
InChI
InChI=1S/C11H13NO2/c1-8-12-10(7-13)11(14-8)9-5-3-2-4-6-9/h2-6,10-11,13H,7H2,1H3
InChIKey
NTCJMVHDZUBYNA-UHFFFAOYSA-N
Compound name
(2-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

191.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.0
[M+Na]+ 214.08386 148.4
[M-H]- 190.08736 145.1
[M+NH4]+ 209.12846 158.3
[M+K]+ 230.05780 146.6
[M+H-H2O]+ 174.09190 133.4
[M+HCOO]- 236.09284 161.6
[M+CH3COO]- 250.10849 179.5
[M+Na-2H]- 212.06931 145.1
[M]+ 191.09409 140.4
[M]- 191.09519 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe